A Projector Augmented Wave (PAW) code for electronic structure calculations, Part I: atompaw for generating atom-centered functions

By N. Holzwarth, A. Tackett, G. E. Matthews. 2001

257 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/cc9da755e001d9663bf0aa4d829488153552d00e